2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide

C16H30N4O — CID 61490053

IUPAC2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-12(4)18-16(21)10-20-14(6)15(13(5)19-20)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3,(H,18,21)
InChIKeyGVRKLYXWZVJJRK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.30
Rot. Bonds8

About 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide

2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 61490053) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
PubChem CID61490053
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-12(4)18-16(21)10-20-14(6)15(13(5)19-20)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3,(H,18,21)
InChIKeyGVRKLYXWZVJJRK-UHFFFAOYSA-N
XLogP2.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
CID 43647498
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
2-[3,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]acetic acid
CID 61294263
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701
N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
CID 61489671
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
2-[3,5-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrazol-4-yl]acetic acid
CID 61489186
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928
3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 66401282

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide (CID 61490053) is 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1nc(C)c(CNC(C)C)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is GVRKLYXWZVJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-8-12(4)18-16(21)10-20-14(6)15(13(5)19-20)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3,(H,18,21).
What are the key properties of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 294.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61490053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).